Chlorine in PDB 2h9k: Structure of Hen Egg White Lysozyme Soaked with Ni-Cyclam

All present enzymatic activity of Structure of Hen Egg White Lysozyme Soaked with Ni-Cyclam:
3.2.1.17;

The structure of Structure of Hen Egg White Lysozyme Soaked with Ni-Cyclam, PDB code: 2h9k was solved by I.W.Mcnae, T.M.Hunter, P.J.Sadler, M.D.Walkinshaw, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	54.64 / 1.75
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	77.324, 77.324, 37.948, 90.00, 90.00, 90.00
R / Rfree (%)	18.1 / 24.6

The structure of Structure of Hen Egg White Lysozyme Soaked with Ni-Cyclam also contains other interesting chemical elements:

Nickel	(Ni)	2 atoms
Sodium	(Na)	1 atom

The binding sites of Chlorine atom in the Structure of Hen Egg White Lysozyme Soaked with Ni-Cyclam (pdb code 2h9k). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of Hen Egg White Lysozyme Soaked with Ni-Cyclam, PDB code: 2h9k:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of Hen Egg White Lysozyme Soaked with Ni-Cyclam


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Hen Egg White Lysozyme Soaked with Ni-Cyclam within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:18.6 occ:1.00 OH A:TYR23 2.9 11.5 1.0 O A:HOH324 3.0 35.1 1.0 O A:HOH223 3.4 19.2 1.0 CZ A:TYR23 3.6 14.5 1.0 CE2 A:TYR23 3.6 13.6 1.0 NH1 A:ARG21 4.1 43.0 1.0 CA A:GLY104 4.2 14.5 1.0 O A:ARG21 4.6 17.1 1.0 CE1 A:TYR23 4.8 9.7 1.0 CD2 A:TYR23 4.9 11.9 1.0 N A:GLY104 4.9 16.3 1.0 CZ A:ARG21 5.0 42.5 1.0

Chlorine binding site 2 out of 2 in the Structure of Hen Egg White Lysozyme Soaked with Ni-Cyclam


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Hen Egg White Lysozyme Soaked with Ni-Cyclam within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:21.4 occ:1.00 O A:HOH215 3.0 15.2 1.0 O A:HOH315 3.0 34.2 1.0 O A:HOH377 3.2 32.5 1.0 N A:THR69 3.3 17.0 1.0 OD1 A:ASN65 3.4 17.2 1.0 O A:THR69 3.4 17.9 1.0 O A:HOH307 3.4 32.1 1.0 N A:ARG68 3.5 16.8 1.0 CA A:GLY67 3.5 16.2 1.0 N A:GLY67 3.6 14.9 1.0 C A:GLY67 3.6 18.6 1.0 C A:THR69 3.6 18.9 1.0 OG A:SER72 3.7 19.3 1.0 CA A:THR69 3.9 17.8 1.0 O A:HOH217 4.1 14.0 1.0 OD1 A:ASP66 4.2 13.6 1.0 C A:ARG68 4.2 17.2 1.0 CA A:ARG68 4.3 18.0 1.0 N A:PRO70 4.3 20.5 1.0 CB A:THR69 4.3 16.9 1.0 O A:GLY67 4.4 20.6 1.0 CG A:ASN65 4.7 18.7 1.0 C A:ASP66 4.7 13.6 1.0 NA A:NA205 4.7 16.7 1.0 N A:ASP66 4.8 10.9 1.0 CA A:PRO70 4.8 21.2 1.0 OG1 A:THR69 4.8 15.5 1.0 O A:HOH273 4.9 19.6 0.5 O A:HOH267 5.0 34.0 1.0

T.M.Hunter, I.W.Mcnae, D.P.Simpson, A.M.Smith, S.Moggach, F.White, M.D.Walkinshaw, S.Parsons, P.J.Sadler. Configurations of Nickel-Cyclam Antiviral Complexes and Protein Recognition. Chemistry V. 13 40 2007.
ISSN: ISSN 0947-6539
PubMed: 17120266
DOI: 10.1002/CHEM.200601334